Crystallography Open Database

Information card for entry 2101282

Preview

Coordinates	2101282.cif
Original IUCr paper	HTML

Structure parameters

Formula	C8 H12 N2 O2
Calculated formula	C8 H12 N2 O2
SMILES	CCC1=CC(=O)N(C(=O)N1C)C
Title of publication	Structure and thermochemical properties of some alkyluracils
Authors of publication	Suwinska, K.
Journal of publication	Acta Crystallographica Section B
Year of publication	1995
Journal volume	51
Journal issue	2
Pages of publication	248 - 254
a	4.107 ± 0.001 Å
b	9.806 ± 0.001 Å
c	20.994 ± 0.002 Å
α	90°
β	92.97 ± 0.01°
γ	90°
Cell volume	844.4 ± 0.2 Å³
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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